1-Methyl-2-pentylpiperidine
PubChem CID: 56996345
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| Compound Synonyms | SCHEMBL4298771 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Acetate-derived alkaloids |
| Deep Smiles | CCCCCCCCCCN6C |
| Heavy Atom Count | 12.0 |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2-pentylpiperidine |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H23N |
| Scaffold Graph Node Bond Level | C1CCNCC1 |
| Inchi Key | WZOYRGBRWGGWJE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1-methyl-2-pentylpiperidine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C |
| Compound Name | 1-Methyl-2-pentylpiperidine |
| Exact Mass | 169.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 169.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 169.31 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H23N/c1-3-4-5-8-11-9-6-7-10-12(11)2/h11H,3-10H2,1-2H3 |
| Smiles | CCCCCC1CCCCN1C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Pimpinella Acuminata (Plant) Rel Props:Reference:ISBN:9788185042114